SCHEMBL4603992

SCHEMBL4603992

NC(=O)C(N)c1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
DAO P14920 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
HDAC1 Q13547 1/20 0.35
IKBKB O14920 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3976361 1.00 ALOX5 (0.51) ALOX5CES2CES1LCKFYN
SCHEMBL8255743 1.00 ALOX5 (0.51) ALOX5CES2CES1LCKFYN
SCHEMBL352654 0.83 ALOX5 (0.47) ALOX5CES2CES1LCKFYN
SCHEMBL3973896 0.83 ALOX5 (0.47) ALOX5CES2CES1LCKFYN
SCHEMBL352655 0.83 ALOX5 (0.47) ALOX5CES2CES1LCKFYN
SCHEMBL4603985 0.82 ALOX5 (0.46) ALOX5CES2CES1LCKFYN
SCHEMBL11694264 0.82 ALOX5 (0.46) ALOX5CES2CES1LCKFYN
SCHEMBL10821116 0.82 ALOX5 (0.46) ALOX5CES2CES1LCKFYN
Hydrochloric Acid SCHEMBL11829834 0.80 ALOX5 (0.45) ALOX5CES2CES1LCKFYN
SCHEMBL10759383 0.79 ALOX5 (0.56) ALOX5CES2CES1LCKFYN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768978-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-07-09 EP disclosed
US-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-03-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB ALOX5 3423/4885CES2 3556/4885CES1 2273/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.